3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine

C12H17N3O2 — CID 10585842

IUPAC3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccoc2)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-15(2)5-3-6-17-12-8-11(13-14-12)10-4-7-16-9-10/h4,7-9H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyFCXVQRRWLWMAFP-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.00
Rot. Bonds6

About 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 10585842) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID10585842
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccoc2)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-15(2)5-3-6-17-12-8-11(13-14-12)10-4-7-16-9-10/h4,7-9H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyFCXVQRRWLWMAFP-UHFFFAOYSA-N
XLogP2.00
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-(3-Furyl)pyrazole
CID 53671153
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-furylmethyl)-N-methylpropanamide
CID 72898729
5-(furan-3-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 150566044
(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone
CID 166192102
(3-furylmethyl)methyl[(5-propyl-1H-pyrazol-3-yl)methyl]amine
CID 50966071
3-(2-Methylfuran-3-yl)-1H-pyrazol-5-amine
CID 24696558
5-(Furan-3-yl)-2H-pyrazol-3-ylamine
CID 24700664
5-(5-methylfuran-3-yl)-1H-pyrazole
CID 59763263
methyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate
CID 66755838
3-(2-Methylfuran-3-yl)pyrazol-1-amine
CID 67417097
[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid
CID 67463493
3-(furan-3-yl)-5-phenyl-1H-pyrazole
CID 71259843

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine (CID 10585842) is 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cc(-c2ccoc2)[nH]n1.
What is the InChIKey of 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is FCXVQRRWLWMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(2)5-3-6-17-12-8-11(13-14-12)10-4-7-16-9-10/h4,7-9H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10585842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).